- InChI
- InChI=1S/C14H26O4/c1-4-5-6-7-9-17-13(15)11-14(16)18-10-8-12(2)3/h12H,4-11H2,1-3H3
- InChI Key
- CQHUHTAEYNZUPW-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCCOC(=O)CC(=O)OCCC(C)C
- Molecular Weight1
- 258.36
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7897 | Relay (1.0) Calculated Property | |
| ΔfG° | -556.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -972.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.089 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | [1699.00; 1699.00] |
|
|
| Inp | 1699.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Tboil | 555.25 | K | Relay (1.0) Calculated Property |
| Tc | 729.62 | K | Relay (1.0) Calculated Property |
| Tfus | 200.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.83; 758.36] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.92980e+01 | |||
| Coefficient B | 1.23016e+00 | |||
| Coefficient C | -5.51800e-04 | |||
| Coefficient D | 4.07000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 334.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 473.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 532.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 585.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 631.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 672.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 706.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 735.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 758.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0043804; 0.0001471] | Pa×s | [317.20; 566.56] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31417e+01 | |||
| Coefficient B | 2.44594e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 317.20 | |||
| Temperature range, max. | 566.56 | |||
| η | 0.0043804 | Pa×s | 317.20 | Calculated Property |
| η | 0.0023577 | Pa×s | 344.91 | Calculated Property |
| η | 0.0013915 | Pa×s | 372.61 | Calculated Property |
| η | 0.0008834 | Pa×s | 400.32 | Calculated Property |
| η | 0.0005948 | Pa×s | 428.03 | Calculated Property |
| η | 0.0004203 | Pa×s | 455.74 | Calculated Property |
| η | 0.0003090 | Pa×s | 483.44 | Calculated Property |
| η | 0.0002349 | Pa×s | 511.15 | Calculated Property |
| η | 0.0001836 | Pa×s | 538.86 | Calculated Property |
| η | 0.0001471 | Pa×s | 566.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, hexyl 3-methylbutyl ester.
Sources
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